BAS 09646762
TL;DR: BAS 09646762 (CAS 713080-82-1) is a chemical compound with molecular formula C16H19N3O3S3 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoylamino]benzoate
Also Known As: BAS 09646762, ETHYL 4-(2-{[3-(METHYLSULFANYL)-1,2,4-THIADIAZOL-5-YL]SULFANYL}BUTANAMIDO)BENZOATE, ethyl 4-[(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}butanoyl)amino]benzoate, ethyl 4-(2-((3-(methylthio)-1,2,4-thiadiazol-5-yl)thio)butanamido)benzoate, ethyl 4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoylamino]benzoate
| Molecular Formula | C16H19N3O3S3 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 3.9461 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.05887 |
| Heavy Atoms | 25 |
| Complexity | 718.91504 |
Chemical Identifiers
| CAS Number | 713080-82-1 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=NS2)SC |
Product Overview
BAS 09646762 (CAS 713080-82-1), with molecular formula C16H19N3O3S3 and molecular weight 397.06 g/mol. IUPAC: ethyl 4-[2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]butanoylamino]benzoate.
Chemical Property Profile of BAS 09646762
Property Insights of BAS 09646762
The XLogP value of 3.9461 indicates that BAS 09646762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09646762. Following Lipinski's Rule of Five, BAS 09646762 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 09646762?
The CAS number of BAS 09646762 is 713080-82-1.
What is the molecular formula of BAS 09646762?
The molecular formula of BAS 09646762 is C16H19N3O3S3.
What is the molecular weight of BAS 09646762?
The molecular weight of BAS 09646762 is 397.06 g/mol.
Where can I buy BAS 09646762?
You can request a quote for BAS 09646762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09646762?
Yes, KEHONG BIO provides custom synthesis services for BAS 09646762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.